1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol

C16H24FNO — CID 79358145

IUPAC1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
SMILESCC1(C)C(CNCC(O)c2ccccc2F)C1(C)C
InChIInChI=1S/C16H24FNO/c1-15(2)14(16(15,3)4)10-18-9-13(19)11-7-5-6-8-12(11)17/h5-8,13-14,18-19H,9-10H2,1-4H3
InChIKeyDWQMRCKRQFJQSG-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol

1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol (PubChem CID 79358145) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
PubChem CID79358145
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
SMILESCC1(C)C(CNCC(O)c2ccccc2F)C1(C)C
InChIInChI=1S/C16H24FNO/c1-15(2)14(16(15,3)4)10-18-9-13(19)11-7-5-6-8-12(11)17/h5-8,13-14,18-19H,9-10H2,1-4H3
InChIKeyDWQMRCKRQFJQSG-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-(2-fluorophenyl)ethanol
CID 66395809
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
1-(2-fluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905464
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol (CID 79358145) is 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol is CC1(C)C(CNCC(O)c2ccccc2F)C1(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol?
The InChIKey is DWQMRCKRQFJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-15(2)14(16(15,3)4)10-18-9-13(19)11-7-5-6-8-12(11)17/h5-8,13-14,18-19H,9-10H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol?
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol has a molecular weight of 265.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol is sourced from PubChem (CID 79358145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).